CID 45664

Trimethyl(p-ureidophenyl)ammonium iodide

Structural Information

Molecular Formula
C10H16N3O
SMILES
C[N+](C)(C)C1=CC=C(C=C1)NC(=O)N
InChI
InChI=1S/C10H15N3O/c1-13(2,3)9-6-4-8(5-7-9)12-10(11)14/h4-7H,1-3H3,(H2-,11,12,14)/p+1
InChIKey
QXFULYINFCRMNA-UHFFFAOYSA-O
Compound name
[4-(carbamoylamino)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

194.12933 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.136606 139.0
[M+Na]+ 217.118548 145.1
[M-H]- 193.122054 144.1
[M+NH4]+ 212.163153 158.2
[M+K]+ 233.092488 138.6
[M+H-H2O]+ 177.126590 135.7
[M+HCOO]- 239.127531 164.6
[M+CH3COO]- 253.143181 186.6
[M+Na-2H]- 215.103996 148.4
[M]+ 194.12878142 136.1
[M]- 194.12987858 136.1
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