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: 3391
References: 34849
Patents: 221.15282 Da
Monoisotopic Mass: 0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	222.16010	152.6
[M+Na]+	244.14204	156.8
[M-H]-	220.14554	155.9
[M+NH4]+	239.18664	169.9
[M+K]+	260.11598	155.0
[M+H-H2O]+	204.15008	145.3
[M+HCOO]-	266.15102	177.6
[M+CH3COO]-	280.16667	198.7
[M+Na-2H]-	242.12749	156.7
[M]+	221.15227	151.0
[M]-	221.15337	151.0

Literature stripe

literature stripe

Patent stripe

patents stripe