CID 7333

1,3-di-o-tolylguanidine

Structural Information

Molecular Formula
C15H17N3
SMILES
CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N
InChI
InChI=1S/C15H17N3/c1-11-7-3-5-9-13(11)17-15(16)18-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H3,16,17,18)
InChIKey
OPNUROKCUBTKLF-UHFFFAOYSA-N
Compound name
1,2-bis(2-methylphenyl)guanidine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

388
References

14144
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