CID 453256

132686-78-3

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC(C)N1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C16H17N3O/c1-11(2)19-14-9-5-4-8-13(14)18(3)16(20)12-7-6-10-17-15(12)19/h4-11H,1-3H3
InChIKey
LYAZZAPFCMSYCJ-UHFFFAOYSA-N
Compound name
6-methyl-11-propan-2-ylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

267.13718 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 160.8
[M+Na]+ 290.12640 170.0
[M-H]- 266.12990 164.0
[M+NH4]+ 285.17100 175.2
[M+K]+ 306.10034 169.2
[M+H-H2O]+ 250.13444 152.3
[M+HCOO]- 312.13538 176.5
[M+CH3COO]- 326.15103 171.8
[M+Na-2H]- 288.11185 166.4
[M]+ 267.13663 159.5
[M]- 267.13773 159.5
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.