CID 102025

Di-(o-tolyl)carbodiimide

Structural Information

Molecular Formula
C15H14N2
SMILES
CC1=CC=CC=C1N=C=NC2=CC=CC=C2C
InChI
InChI=1S/C15H14N2/c1-12-7-3-5-9-14(12)16-11-17-15-10-6-4-8-13(15)2/h3-10H,1-2H3
InChIKey
JCNCSCMYYGONLU-UHFFFAOYSA-N
Compound name
N,N'-bis(2-methylphenyl)methanediimine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1512
Patents

222.11569 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.122966 149.4
[M+Na]+ 245.104908 157.4
[M-H]- 221.108414 159.1
[M+NH4]+ 240.149513 168.7
[M+K]+ 261.078848 153.8
[M+H-H2O]+ 205.112950 141.2
[M+HCOO]- 267.113891 179.0
[M+CH3COO]- 281.129541 199.2
[M+Na-2H]- 243.090356 157.2
[M]+ 222.11514142 150.4
[M]- 222.11623858 150.4
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