CID 75100

Bis(2,6-diisopropylphenyl)carbodiimide

Structural Information

Molecular Formula
C25H34N2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)N=C=NC2=C(C=CC=C2C(C)C)C(C)C
InChI
InChI=1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3
InChIKey
XLDBGFGREOMWSL-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

3482
Patents

362.2722 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.27948 194.9
[M+Na]+ 385.26142 199.2
[M-H]- 361.26492 203.7
[M+NH4]+ 380.30602 208.7
[M+K]+ 401.23536 195.5
[M+H-H2O]+ 345.26946 185.7
[M+HCOO]- 407.27040 216.9
[M+CH3COO]- 421.28605 235.0
[M+Na-2H]- 383.24687 191.1
[M]+ 362.27165 197.8
[M]- 362.27275 197.8
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