CID 509553

647376-40-7

Structural Information

Molecular Formula
C16H17N5O2S
SMILES
C1=CC(=CC=C1CCNC2=NC=NC3=C2C=C(C=C3)N)S(=O)(=O)N
InChI
InChI=1S/C16H17N5O2S/c17-12-3-6-15-14(9-12)16(21-10-20-15)19-8-7-11-1-4-13(5-2-11)24(18,22)23/h1-6,9-10H,7-8,17H2,(H2,18,22,23)(H,19,20,21)
InChIKey
OCDALDMDDFDMPI-UHFFFAOYSA-N
Compound name
4-[2-[(6-aminoquinazolin-4-yl)amino]ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

343.1103 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11758 175.9
[M+Na]+ 366.09952 184.1
[M-H]- 342.10302 180.1
[M+NH4]+ 361.14412 186.7
[M+K]+ 382.07346 177.3
[M+H-H2O]+ 326.10756 166.9
[M+HCOO]- 388.10850 192.6
[M+CH3COO]- 402.12415 215.6
[M+Na-2H]- 364.08497 182.9
[M]+ 343.10975 175.8
[M]- 343.11085 175.8
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

No patent data available for this compound.