CID 162345250

Ns00132960

Structural Information

Molecular Formula
C15H15N3O
SMILES
CC1=C2C(=CC=C1)C3=C(C(=C(C=C3)O)C)NC(=N2)N
InChI
InChI=1S/C15H15N3O/c1-8-4-3-5-10-11-6-7-12(19)9(2)14(11)18-15(16)17-13(8)10/h3-7,19H,1-2H3,(H3,16,17,18)
InChIKey
JWHSNJLFNJCOMK-UHFFFAOYSA-N
Compound name
6-amino-4,8-dimethyl-5H-benzo[d][1,3]benzodiazepin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 159.0
[M+Na]+ 276.110718 168.6
[M-H]- 252.114224 161.4
[M+NH4]+ 271.155323 173.9
[M+K]+ 292.084658 167.2
[M+H-H2O]+ 236.118760 152.3
[M+HCOO]- 298.119701 175.9
[M+CH3COO]- 312.135351 169.9
[M+Na-2H]- 274.096166 164.9
[M]+ 253.12095142 155.1
[M]- 253.12204858 155.1
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.