CID 453297

132707-73-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
CC1=CC2=C(C=C1)N(C3=C(C(=CC(=N3)C)C)C(=O)N2C)C
InChI
InChI=1S/C17H19N3O/c1-10-6-7-13-14(8-10)20(5)17(21)15-11(2)9-12(3)18-16(15)19(13)4/h6-9H,1-5H3
InChIKey
IPJUAYYDBAAITI-UHFFFAOYSA-N
Compound name
2,4,6,8,11-pentamethylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1528 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.7
[M+Na]+ 304.14202 178.2
[M-H]- 280.14552 170.8
[M+NH4]+ 299.18662 181.4
[M+K]+ 320.11596 177.1
[M+H-H2O]+ 264.15006 158.5
[M+HCOO]- 326.15100 182.8
[M+CH3COO]- 340.16665 178.2
[M+Na-2H]- 302.12747 170.5
[M]+ 281.15225 167.4
[M]- 281.15335 167.4
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.