CID 388598

Nsc683607

Structural Information

Molecular Formula
C13H17N5O2
SMILES
CC1CC(=O)NC2=C(N1C=O)C=C(C=C2)N=NN(C)C
InChI
InChI=1S/C13H17N5O2/c1-9-6-13(20)14-11-5-4-10(15-16-17(2)3)7-12(11)18(9)8-19/h4-5,7-9H,6H2,1-3H3,(H,14,20)
InChIKey
VYDUJGMWUAWQOE-UHFFFAOYSA-N
Compound name
7-(dimethylaminodiazenyl)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1382 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14548 161.5
[M+Na]+ 298.12742 167.9
[M-H]- 274.13092 167.6
[M+NH4]+ 293.17202 176.0
[M+K]+ 314.10136 171.2
[M+H-H2O]+ 258.13546 152.1
[M+HCOO]- 320.13640 184.4
[M+CH3COO]- 334.15205 213.4
[M+Na-2H]- 296.11287 166.8
[M]+ 275.13765 160.0
[M]- 275.13875 160.0
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.