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

10
Patents

193.1215 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.12878 144.1
[M+Na]+ 216.11072 149.3
[M-H]- 192.11422 147.4
[M+NH4]+ 211.15532 162.4
[M+K]+ 232.08466 147.7
[M+H-H2O]+ 176.11876 137.3
[M+HCOO]- 238.11970 169.2
[M+CH3COO]- 252.13535 191.4
[M+Na-2H]- 214.09617 148.2
[M]+ 193.12095 140.7
[M]- 193.12205 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