CID 28737705

1-(3-aminophenyl)-3-(propan-2-yl)urea

Structural Information

Molecular Formula
C10H15N3O
SMILES
CC(C)NC(=O)NC1=CC=CC(=C1)N
InChI
InChI=1S/C10H15N3O/c1-7(2)12-10(14)13-9-5-3-4-8(11)6-9/h3-7H,11H2,1-2H3,(H2,12,13,14)
InChIKey
SHMGFOXSMRDWIZ-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

193.1215 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.128776 144.1
[M+Na]+ 216.110718 149.3
[M-H]- 192.114224 147.4
[M+NH4]+ 211.155323 162.4
[M+K]+ 232.084658 147.7
[M+H-H2O]+ 176.118760 137.3
[M+HCOO]- 238.119701 169.2
[M+CH3COO]- 252.135351 191.4
[M+Na-2H]- 214.096166 148.2
[M]+ 193.12095142 140.7
[M]- 193.12204858 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe