CID 47002359

N-(cyclopropylmethyl)-4-[(cyclopropylmethyl)amino]-2-nitrobenzene-1-sulfonamide

Structural Information

Molecular Formula
C14H19N3O4S
SMILES
C1CC1CNC2=CC(=C(C=C2)S(=O)(=O)NCC3CC3)[N+](=O)[O-]
InChI
InChI=1S/C14H19N3O4S/c18-17(19)13-7-12(15-8-10-1-2-10)5-6-14(13)22(20,21)16-9-11-3-4-11/h5-7,10-11,15-16H,1-4,8-9H2
InChIKey
LZDOFPCPLHYCHV-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-4-(cyclopropylmethylamino)-2-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.10962 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.11690 156.3
[M+Na]+ 348.09884 160.6
[M-H]- 324.10234 164.8
[M+NH4]+ 343.14344 159.0
[M+K]+ 364.07278 152.6
[M+H-H2O]+ 308.10688 154.2
[M+HCOO]- 370.10782 174.2
[M+CH3COO]- 384.12347 212.1
[M+Na-2H]- 346.08429 161.6
[M]+ 325.10907 159.3
[M]- 325.11017 159.3
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

No patent data available for this compound.