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 238.5
[M+Na]+ 551.33566 247.4
[M+NH4]+ 546.38026 241.4
[M+K]+ 567.30960 240.8
[M-H]- 527.33916 243.3
[M+Na-2H]- 549.32111 241.0
[M]+ 528.34589 240.8
[M]- 528.34699 240.8
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.