CID 69763

1,3-di-p-tolylcarbodiimide

Structural Information

Molecular Formula
C15H14N2
SMILES
CC1=CC=C(C=C1)N=C=NC2=CC=C(C=C2)C
InChI
InChI=1S/C15H14N2/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15/h3-10H,1-2H3
InChIKey
BOSWPVRACYJBSJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2168
Patents

222.11569 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 149.4
[M+Na]+ 245.10491 157.4
[M-H]- 221.10841 159.1
[M+NH4]+ 240.14951 168.7
[M+K]+ 261.07885 153.8
[M+H-H2O]+ 205.11295 141.2
[M+HCOO]- 267.11389 179.0
[M+CH3COO]- 281.12954 199.2
[M+Na-2H]- 243.09036 157.2
[M]+ 222.11514 150.4
[M]- 222.11624 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