CID 6894880

Nsc1595

Structural Information

Molecular Formula

C₁₀H₁₄N₄O

SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=O)N

InChI

InChI=1S/C10H14N4O/c1-14(2)9-5-3-8(4-6-9)7-12-13-10(11)15/h3-7H,1-2H3,(H3,11,13,15)/b12-7+

InChIKey

NMHVBJBGCKBVDH-KPKJPENVSA-N

Compound name

[(E)-[4-(dimethylamino)phenyl]methylideneamino]urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 206.11676 Da
Monoisotopic Mass: 1.6
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]+	207.12404	145.9
[M+Na]+	229.10598	151.3
[M-H]-	205.10948	151.9
[M+NH4]+	224.15058	164.6
[M+K]+	245.07992	150.9
[M+H-H2O]+	189.11402	138.0
[M+HCOO]-	251.11496	175.1
[M+CH3COO]-	265.13061	200.7
[M+Na-2H]-	227.09143	151.3
[M]+	206.11621	144.8
[M]-	206.11731	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe