CID 41011

Guanidine, n,n'-bis(4-methylphenyl)-

Structural Information

Molecular Formula
C15H17N3
SMILES
CC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C)N
InChI
InChI=1S/C15H17N3/c1-11-3-7-13(8-4-11)17-15(16)18-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H3,16,17,18)
InChIKey
FXQVBOJLSKRNLL-UHFFFAOYSA-N
Compound name
1,2-bis(4-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

31
References

205
Patents

239.14224 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14952 157.5
[M+Na]+ 262.13146 170.2
[M+NH4]+ 257.17606 166.3
[M+K]+ 278.10540 162.3
[M-H]- 238.13496 164.3
[M+Na-2H]- 260.11691 167.1
[M]+ 239.14169 161.2
[M]- 239.14279 161.2
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