CID 98652

51123-83-2

Structural Information

Molecular Formula
C18H14N4O2S
SMILES
C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N
InChI
InChI=1S/C18H14N4O2S/c19-17-15-10-14(7-8-16(15)21-18(20)22-17)25(23,24)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H4,19,20,21,22)
InChIKey
GBVQWZXJDIIUCC-UHFFFAOYSA-N
Compound name
6-naphthalen-2-ylsulfonylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

14
Patents

350.08374 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.091016 179.2
[M+Na]+ 373.072958 190.6
[M-H]- 349.076464 185.0
[M+NH4]+ 368.117563 191.1
[M+K]+ 389.046898 182.9
[M+H-H2O]+ 333.081000 170.3
[M+HCOO]- 395.081941 195.2
[M+CH3COO]- 409.097591 189.7
[M+Na-2H]- 371.058406 187.9
[M]+ 350.08319142 181.1
[M]- 350.08428858 181.1
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