CID 171474

Urea, n-(aminoiminomethyl)-n'-(2,6-dimethylphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H14N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N=C(N)N
InChI
InChI=1S/C10H14N4O/c1-6-4-3-5-7(2)8(6)13-10(15)14-9(11)12/h3-5H,1-2H3,(H5,11,12,13,14,15)
InChIKey
YCRAWIKTBRJACJ-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

206.11676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12404 147.0
[M+Na]+ 229.10598 153.1
[M-H]- 205.10948 151.6
[M+NH4]+ 224.15058 165.2
[M+K]+ 245.07992 151.6
[M+H-H2O]+ 189.11402 139.8
[M+HCOO]- 251.11496 174.1
[M+CH3COO]- 265.13061 198.3
[M+Na-2H]- 227.09143 150.1
[M]+ 206.11621 143.4
[M]- 206.11731 143.4
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