CID 4447

N-(p-cyanophenyl)-n'-diphenylmethyl-guanidine-acetic acid

Structural Information

Molecular Formula
C23H20N4O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=NCC(=O)O)NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)
InChIKey
KGHMYJFHUHFOGL-UHFFFAOYSA-N
Compound name
2-[[(benzhydrylamino)-(4-cyanoanilino)methylidene]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

20
References

1
Patents

384.15863 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16591 203.4
[M+Na]+ 407.14785 207.8
[M-H]- 383.15135 209.1
[M+NH4]+ 402.19245 211.0
[M+K]+ 423.12179 200.9
[M+H-H2O]+ 367.15589 186.4
[M+HCOO]- 429.15683 222.1
[M+CH3COO]- 443.17248 233.1
[M+Na-2H]- 405.13330 204.4
[M]+ 384.15808 194.8
[M]- 384.15918 194.8
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