CID 4915

Procarbazine

Structural Information

Molecular Formula
C12H19N3O
SMILES
CC(C)NC(=O)C1=CC=C(C=C1)CNNC
InChI
InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChIKey
CPTBDICYNRMXFX-UHFFFAOYSA-N
Compound name
4-[(2-methylhydrazinyl)methyl]-N-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

3392
References

36342
Patents

221.15282 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 152.6
[M+Na]+ 244.142038 156.8
[M-H]- 220.145544 155.9
[M+NH4]+ 239.186643 169.9
[M+K]+ 260.115978 155.0
[M+H-H2O]+ 204.150080 145.3
[M+HCOO]- 266.151021 177.6
[M+CH3COO]- 280.166671 198.7
[M+Na-2H]- 242.127486 156.7
[M]+ 221.15227142 151.0
[M]- 221.15336858 151.0
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

patents stripe