CID 4073054

3-carbamimidamido-1,1-diphenylurea

Structural Information

Molecular Formula
C14H15N5O
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NN=C(N)N
InChI
InChI=1S/C14H15N5O/c15-13(16)17-18-14(20)19(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,18,20)(H4,15,16,17)
InChIKey
QLXOHIUDKNRVBZ-UHFFFAOYSA-N
Compound name
3-(diaminomethylideneamino)-1,1-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.12766 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.134936 160.0
[M+Na]+ 292.116878 163.0
[M-H]- 268.120384 168.0
[M+NH4]+ 287.161483 174.6
[M+K]+ 308.090818 161.4
[M+H-H2O]+ 252.124920 150.4
[M+HCOO]- 314.125861 188.7
[M+CH3COO]- 328.141511 212.3
[M+Na-2H]- 290.102326 165.4
[M]+ 269.12711142 155.2
[M]- 269.12820858 155.2
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