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]+ 324.14548 186.0
[M+Na]+ 346.12742 196.3
[M-H]- 322.13092 191.1
[M+NH4]+ 341.17202 191.9
[M+K]+ 362.10136 193.5
[M+H-H2O]+ 306.13546 175.5
[M+HCOO]- 368.13640 201.4
[M+CH3COO]- 382.15205 194.5
[M+Na-2H]- 344.11287 189.6
[M]+ 323.13765 186.4
[M]- 323.13875 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.