CID 516581

6-(2-benzyl-piperidine-1-sulfonyl)-quinazoline-2,4-diamine

Structural Information

Molecular Formula
C20H23N5O2S
SMILES
C1CCN(C(C1)CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N
InChI
InChI=1S/C20H23N5O2S/c21-19-17-13-16(9-10-18(17)23-20(22)24-19)28(26,27)25-11-5-4-8-15(25)12-14-6-2-1-3-7-14/h1-3,6-7,9-10,13,15H,4-5,8,11-12H2,(H4,21,22,23,24)
InChIKey
MZXCGHXTJWOJFU-UHFFFAOYSA-N
Compound name
6-(2-benzylpiperidin-1-yl)sulfonylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.15726 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16454 192.7
[M+Na]+ 420.14648 199.2
[M-H]- 396.14998 197.6
[M+NH4]+ 415.19108 199.6
[M+K]+ 436.12042 191.5
[M+H-H2O]+ 380.15452 182.2
[M+HCOO]- 442.15546 202.8
[M+CH3COO]- 456.17111 199.9
[M+Na-2H]- 418.13193 196.2
[M]+ 397.15671 188.8
[M]- 397.15781 188.8
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.