CID 371707

2,4,6-triisopropylbenzenesulfonyl azide

Structural Information

Molecular Formula
C15H23N3O2S
SMILES
CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=[N+]=[N-])C(C)C
InChI
InChI=1S/C15H23N3O2S/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)21(19,20)18-17-16/h7-11H,1-6H3
InChIKey
AEMWUHCKKDPRSK-UHFFFAOYSA-N
Compound name
N-diazo-2,4,6-tri(propan-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1517
Patents

309.1511 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15838 170.1
[M+Na]+ 332.14032 175.7
[M-H]- 308.14382 176.3
[M+NH4]+ 327.18492 185.6
[M+K]+ 348.11426 168.5
[M+H-H2O]+ 292.14836 167.3
[M+HCOO]- 354.14930 189.9
[M+CH3COO]- 368.16495 211.1
[M+Na-2H]- 330.12577 172.0
[M]+ 309.15055 171.6
[M]- 309.15165 171.6
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