CID 453289

133626-81-0

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CCN1C2=C(C=C(C=C2)CNC(=O)C(C)(C)C)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C21H26N4O2/c1-6-25-16-10-9-14(13-23-20(27)21(2,3)4)12-17(16)24(5)19(26)15-8-7-11-22-18(15)25/h7-12H,6,13H2,1-5H3,(H,23,27)
InChIKey
FFLOBJBVPWJYSC-UHFFFAOYSA-N
Compound name
N-[(11-ethyl-6-methyl-5-oxopyrido[3,2-c][1,5]benzodiazepin-8-yl)methyl]-2,2-dimethylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.20557 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 191.9
[M+Na]+ 389.19479 199.5
[M-H]- 365.19829 195.1
[M+NH4]+ 384.23939 202.4
[M+K]+ 405.16873 199.1
[M+H-H2O]+ 349.20283 182.8
[M+HCOO]- 411.20377 205.6
[M+CH3COO]- 425.21942 223.4
[M+Na-2H]- 387.18024 195.6
[M]+ 366.20502 192.0
[M]- 366.20612 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.