CID 125651

Methylazoxyprocarbazine

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC(C)NC(=O)C1=CC=C(C=C1)CN=[N+](C)[O-]
InChI
InChI=1S/C12H17N3O2/c1-9(2)14-12(16)11-6-4-10(5-7-11)8-13-15(3)17/h4-7,9H,8H2,1-3H3,(H,14,16)
InChIKey
MSBHRBXAZGGHHV-UHFFFAOYSA-N
Compound name
methyl-oxido-[[4-(propan-2-ylcarbamoyl)phenyl]methylimino]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

235.13208 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 153.6
[M+Na]+ 258.12130 158.0
[M-H]- 234.12480 158.2
[M+NH4]+ 253.16590 170.6
[M+K]+ 274.09524 152.8
[M+H-H2O]+ 218.12934 151.0
[M+HCOO]- 280.13028 180.0
[M+CH3COO]- 294.14593 194.3
[M+Na-2H]- 256.10675 158.9
[M]+ 235.13153 152.0
[M]- 235.13263 152.0
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.