PubChemLite - Nsc651837 (C26H32N4O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CN(CC)CC

InChI

InChI=1S/C26H32N4O4/c1-5-29(6-2)15-23(31)27-17-9-11-19-21(13-17)25(33)20-12-10-18(14-22(20)26(19)34)28-24(32)16-30(7-3)8-4/h9-14H,5-8,15-16H2,1-4H3,(H,27,31)(H,28,32)

InChIKey

COLRGEANOXVELY-UHFFFAOYSA-N

Compound name

2-(diethylamino)-N-[6-[[2-(diethylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide

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]+	465.24965	213.2
[M+Na]+	487.23159	215.8
[M-H]-	463.23509	219.7
[M+NH4]+	482.27619	223.3
[M+K]+	503.20553	214.1
[M+H-H2O]+	447.23963	203.3
[M+HCOO]-	509.24057	234.1
[M+CH3COO]-	523.25622	256.6
[M+Na-2H]-	485.21704	213.0
[M]+	464.24182	217.9
[M]-	464.24292	217.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

465.24965

213.2

[M+Na]+

487.23159

215.8

[M-H]-

463.23509

219.7

[M+NH4]+

482.27619

223.3

[M+K]+

503.20553

214.1

[M+H-H2O]+

447.23963

203.3

[M+HCOO]-

509.24057

234.1

[M+CH3COO]-

523.25622

256.6

[M+Na-2H]-

485.21704

213.0

[M]+

464.24182

217.9

[M]-

464.24292

217.9

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

Nsc651837

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe