CID 106508

Bis(2,4,6-triisopropyl-3-isocyanatophenyl)carbodiimide

Structural Information

Molecular Formula
C33H44N4O2
SMILES
CC(C)C1=CC(=C(C(=C1N=C=NC2=C(C(=C(C=C2C(C)C)C(C)C)N=C=O)C(C)C)C(C)C)N=C=O)C(C)C
InChI
InChI=1S/C33H44N4O2/c1-18(2)24-13-26(20(5)6)32(36-16-38)28(22(9)10)30(24)34-15-35-31-25(19(3)4)14-27(21(7)8)33(37-17-39)29(31)23(11)12/h13-14,18-23H,1-12H3
InChIKey
ZVVVXWVFRZDTFL-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

528.34644 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.35372 237.9
[M+Na]+ 551.33566 241.8
[M-H]- 527.33916 249.3
[M+NH4]+ 546.38026 246.0
[M+K]+ 567.30960 239.2
[M+H-H2O]+ 511.34370 227.4
[M+HCOO]- 573.34464 261.0
[M+CH3COO]- 587.36029 279.5
[M+Na-2H]- 549.32111 227.3
[M]+ 528.34589 246.0
[M]- 528.34699 246.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.