CID 467432

8-amino-11-benzyl-6-methyl-pyridazino[4,3-c][1,5]benzodiazepin-5-one

Structural Information

Molecular Formula
C19H17N5O
SMILES
CN1C2=C(C=CC(=C2)N)N(C3=C(C1=O)C=CN=N3)CC4=CC=CC=C4
InChI
InChI=1S/C19H17N5O/c1-23-17-11-14(20)7-8-16(17)24(12-13-5-3-2-4-6-13)18-15(19(23)25)9-10-21-22-18/h2-11H,12,20H2,1H3
InChIKey
BMTQKFXAELUHFB-UHFFFAOYSA-N
Compound name
8-amino-11-benzyl-6-methylpyridazino[4,3-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

331.1433 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.15058 183.8
[M+Na]+ 354.13252 193.6
[M-H]- 330.13602 188.4
[M+NH4]+ 349.17712 193.5
[M+K]+ 370.10646 190.7
[M+H-H2O]+ 314.14056 172.2
[M+HCOO]- 376.14150 199.5
[M+CH3COO]- 390.15715 192.9
[M+Na-2H]- 352.11797 189.6
[M]+ 331.14275 180.8
[M]- 331.14385 180.8
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

No patent data available for this compound.