CID 388603

Nsc683611

Structural Information

Molecular Formula
C14H19N5O2
SMILES
CC1CC(=O)NC2=C(N1C(=O)C)C=C(C=C2)N=NN(C)C
InChI
InChI=1S/C14H19N5O2/c1-9-7-14(21)15-12-6-5-11(16-17-18(3)4)8-13(12)19(9)10(2)20/h5-6,8-9H,7H2,1-4H3,(H,15,21)
InChIKey
XCTVTCKRJJTLHD-UHFFFAOYSA-N
Compound name
5-acetyl-7-(dimethylaminodiazenyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.15387 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16115 165.7
[M+Na]+ 312.14309 171.6
[M-H]- 288.14659 171.8
[M+NH4]+ 307.18769 179.8
[M+K]+ 328.11703 175.3
[M+H-H2O]+ 272.15113 156.4
[M+HCOO]- 334.15207 187.4
[M+CH3COO]- 348.16772 216.5
[M+Na-2H]- 310.12854 169.5
[M]+ 289.15332 163.9
[M]- 289.15442 163.9
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.