PubChemLite - Nsc651354 (C28H30N4O3)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C(CC1=CC=C(C=C1)N=NN(C)C)NC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C28H30N4O3/c1-4-35-28(34)26(17-19-13-15-20(16-14-19)30-31-32(2)3)29-27(33)18-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-16,25-26H,4,17-18H2,1-3H3,(H,29,33)

InChIKey

IXXIUYXCQGEDEV-UHFFFAOYSA-N

Compound name

ethyl 3-[4-(dimethylaminodiazenyl)phenyl]-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	471.23906	215.7
[M+Na]+	493.22100	217.8
[M-H]-	469.22450	226.8
[M+NH4]+	488.26560	227.3
[M+K]+	509.19494	215.5
[M+H-H2O]+	453.22904	204.8
[M+HCOO]-	515.22998	240.7
[M+CH3COO]-	529.24563	254.8
[M+Na-2H]-	491.20645	216.9
[M]+	470.23123	220.9
[M]-	470.23233	220.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.23906

215.7

[M+Na]+

493.22100

217.8

[M-H]-

469.22450

226.8

[M+NH4]+

488.26560

227.3

[M+K]+

509.19494

215.5

[M+H-H2O]+

453.22904

204.8

[M+HCOO]-

515.22998

240.7

[M+CH3COO]-

529.24563

254.8

[M+Na-2H]-

491.20645

216.9

[M]+

470.23123

220.9

[M]-

470.23233

220.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Nsc651354

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe