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
2
Annotation Hits

0
References

1350
Patents

286.16812 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 167.5
[M+Na]+ 309.157338 174.9
[M-H]- 285.160844 174.3
[M+NH4]+ 304.201943 184.8
[M+K]+ 325.131278 173.1
[M+H-H2O]+ 269.165380 160.4
[M+HCOO]- 331.166321 192.7
[M+CH3COO]- 345.181971 217.2
[M+Na-2H]- 307.142786 166.8
[M]+ 286.16757142 172.3
[M]- 286.16866858 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