CID 516573

92144-23-5

Structural Information

Molecular Formula
C15H24N6O2S
SMILES
CCN(CC)CCN(C)S(=O)(=O)C1=CC2=C(C=C1)N=C(N=C2N)N
InChI
InChI=1S/C15H24N6O2S/c1-4-21(5-2)9-8-20(3)24(22,23)11-6-7-13-12(10-11)14(16)19-15(17)18-13/h6-7,10H,4-5,8-9H2,1-3H3,(H4,16,17,18,19)
InChIKey
ZASPIZCAIKPDBK-UHFFFAOYSA-N
Compound name
2,4-diamino-N-[2-(diethylamino)ethyl]-N-methylquinazoline-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.16815 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.17543 181.0
[M+Na]+ 375.15737 187.3
[M-H]- 351.16087 184.5
[M+NH4]+ 370.20197 192.7
[M+K]+ 391.13131 184.3
[M+H-H2O]+ 335.16541 172.0
[M+HCOO]- 397.16635 198.3
[M+CH3COO]- 411.18200 228.2
[M+Na-2H]- 373.14282 185.0
[M]+ 352.16760 184.6
[M]- 352.16870 184.6
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

No patent data available for this compound.