CID 201957

Brn 1230523

Structural Information

Molecular Formula
C20H29N7O
SMILES
CC(CC1=NC(=NC(=N1)N2CCOCC2)N)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C20H29N7O/c1-16(25-7-9-26(10-8-25)17-5-3-2-4-6-17)15-18-22-19(21)24-20(23-18)27-11-13-28-14-12-27/h2-6,16H,7-15H2,1H3,(H2,21,22,23,24)
InChIKey
DZVOPCWIELWQHQ-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-6-[2-(4-phenylpiperazin-1-yl)propyl]-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.24335 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.25063 198.9
[M+Na]+ 406.23257 201.1
[M-H]- 382.23607 201.5
[M+NH4]+ 401.27717 198.7
[M+K]+ 422.20651 195.0
[M+H-H2O]+ 366.24061 183.3
[M+HCOO]- 428.24155 205.2
[M+CH3COO]- 442.25720 203.0
[M+Na-2H]- 404.21802 199.0
[M]+ 383.24280 189.9
[M]- 383.24390 189.9
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.