CID 75099

2162-73-4

Structural Information

Molecular Formula
C17H22N2O2
SMILES
CC(C)C1=CC(=C(C(=C1N=C=O)C(C)C)N=C=O)C(C)C
InChI
InChI=1S/C17H22N2O2/c1-10(2)13-7-14(11(3)4)17(19-9-21)15(12(5)6)16(13)18-8-20/h7,10-12H,1-6H3
InChIKey
AZAKSPACDDRBQB-UHFFFAOYSA-N
Compound name
2,4-diisocyanato-1,3,5-tri(propan-2-yl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1347
Patents

286.16812 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.17540 167.5
[M+Na]+ 309.15734 174.9
[M-H]- 285.16084 174.3
[M+NH4]+ 304.20194 184.8
[M+K]+ 325.13128 173.1
[M+H-H2O]+ 269.16538 160.4
[M+HCOO]- 331.16632 192.7
[M+CH3COO]- 345.18197 217.2
[M+Na-2H]- 307.14279 166.8
[M]+ 286.16757 172.3
[M]- 286.16867 172.3
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

patents stripe