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
7
Annotation Hits

388
References

15042
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 155.8
[M+Na]+ 262.13146 162.0
[M-H]- 238.13496 163.6
[M+NH4]+ 257.17606 173.0
[M+K]+ 278.10540 158.2
[M+H-H2O]+ 222.13950 147.6
[M+HCOO]- 284.14044 183.0
[M+CH3COO]- 298.15609 202.8
[M+Na-2H]- 260.11691 161.2
[M]+ 239.14169 153.4
[M]- 239.14279 153.4
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