CID 467435

N-(11-cyclopropyl-6-methyl-5-oxo-pyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CC(=O)NC1=CC2=C(C=C1)N(C3=C(C=CN=N3)C(=O)N2C)C4CC4
InChI
InChI=1S/C17H17N5O2/c1-10(23)19-11-3-6-14-15(9-11)21(2)17(24)13-7-8-18-20-16(13)22(14)12-4-5-12/h3,6-9,12H,4-5H2,1-2H3,(H,19,23)
InChIKey
VHLKTYZLKFYHPN-UHFFFAOYSA-N
Compound name
N-(11-cyclopropyl-6-methyl-5-oxopyridazino[4,3-c][1,5]benzodiazepin-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.1382 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.145476 186.0
[M+Na]+ 346.127418 196.3
[M-H]- 322.130924 191.1
[M+NH4]+ 341.172023 191.9
[M+K]+ 362.101358 193.5
[M+H-H2O]+ 306.135460 175.5
[M+HCOO]- 368.136401 201.4
[M+CH3COO]- 382.152051 194.5
[M+Na-2H]- 344.112866 189.6
[M]+ 323.13765142 186.4
[M]- 323.13874858 186.4
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.