CID 453252

132686-83-0

Structural Information

Molecular Formula
C14H13N3O
SMILES
CN1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C14H13N3O/c1-16-11-7-3-4-8-12(11)17(2)14(18)10-6-5-9-15-13(10)16/h3-9H,1-2H3
InChIKey
DCVSTZXAGIGNMQ-UHFFFAOYSA-N
Compound name
6,11-dimethylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

239.10587 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11315 152.9
[M+Na]+ 262.09509 163.2
[M-H]- 238.09859 156.3
[M+NH4]+ 257.13969 168.4
[M+K]+ 278.06903 162.2
[M+H-H2O]+ 222.10313 144.6
[M+HCOO]- 284.10407 170.1
[M+CH3COO]- 298.11972 164.7
[M+Na-2H]- 260.08054 160.4
[M]+ 239.10532 151.5
[M]- 239.10642 151.5
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

patents stripe