CID 135429806

Nsc 18079

Structural Information

Molecular Formula
C14H15N3O3S
SMILES
C/C(=N\NS(=O)(=O)C1=CC=C(C=C1)N)/C2=CC=CC=C2O
InChI
InChI=1S/C14H15N3O3S/c1-10(13-4-2-3-5-14(13)18)16-17-21(19,20)12-8-6-11(15)7-9-12/h2-9,17-18H,15H2,1H3/b16-10+
InChIKey
BQHQQDLJQRYXAE-MHWRWJLKSA-N
Compound name
4-amino-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.0834 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.09068 166.9
[M+Na]+ 328.07262 173.2
[M-H]- 304.07612 173.2
[M+NH4]+ 323.11722 180.7
[M+K]+ 344.04656 168.6
[M+H-H2O]+ 288.08066 158.8
[M+HCOO]- 350.08160 186.8
[M+CH3COO]- 364.09725 207.3
[M+Na-2H]- 326.05807 171.1
[M]+ 305.08285 166.5
[M]- 305.08395 166.5
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.