CID 367778

Nsc637717

Structural Information

Molecular Formula
C23H17N3O2
SMILES
CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=NC=C5
InChI
InChI=1S/C23H17N3O2/c1-13-12-19(14-8-10-24-11-9-14)26-18-7-6-17-20(21(18)25-13)23(28)16-5-3-2-4-15(16)22(17)27/h2-11,19,26H,12H2,1H3
InChIKey
SSPKLSZDKQGWSO-UHFFFAOYSA-N
Compound name
2-methyl-4-pyridin-4-yl-4,5-dihydro-3H-naphtho[3,2-g][1,5]benzodiazepine-8,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.13208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.13936 192.6
[M+Na]+ 390.12130 202.1
[M-H]- 366.12480 198.2
[M+NH4]+ 385.16590 202.7
[M+K]+ 406.09524 197.7
[M+H-H2O]+ 350.12934 182.3
[M+HCOO]- 412.13028 205.0
[M+CH3COO]- 426.14593 201.0
[M+Na-2H]- 388.10675 197.2
[M]+ 367.13153 188.5
[M]- 367.13263 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.