CID 201931

Brn 1231388

Structural Information

Molecular Formula
C19H26ClN7O
SMILES
C1CN(CCN1CCC2=NC(=NC(=N2)N3CCOCC3)N)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H26ClN7O/c20-15-1-3-16(4-2-15)26-9-7-25(8-10-26)6-5-17-22-18(21)24-19(23-17)27-11-13-28-14-12-27/h1-4H,5-14H2,(H2,21,22,23,24)
InChIKey
XIOWIESOPBVOTF-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-6-morpholin-4-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.18875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19603 201.8
[M+Na]+ 426.17797 206.0
[M-H]- 402.18147 204.3
[M+NH4]+ 421.22257 202.0
[M+K]+ 442.15191 198.7
[M+H-H2O]+ 386.18601 186.0
[M+HCOO]- 448.18695 204.6
[M+CH3COO]- 462.20260 206.2
[M+Na-2H]- 424.16342 201.8
[M]+ 403.18820 195.4
[M]- 403.18930 195.4
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.