CID 213569

Brn 0567475

Structural Information

Molecular Formula
C22H27N5
SMILES
CC(C)C1=NC(=NC(=N1)NCCC2=CC=CC=C2)NCCC3=CC=CC=C3
InChI
InChI=1S/C22H27N5/c1-17(2)20-25-21(23-15-13-18-9-5-3-6-10-18)27-22(26-20)24-16-14-19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3,(H2,23,24,25,26,27)
InChIKey
HKIHGLXLDGYVSM-UHFFFAOYSA-N
Compound name
2-N,4-N-bis(2-phenylethyl)-6-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.22665 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.23393 189.7
[M+Na]+ 384.21587 193.9
[M-H]- 360.21937 194.4
[M+NH4]+ 379.26047 196.8
[M+K]+ 400.18981 186.8
[M+H-H2O]+ 344.22391 177.0
[M+HCOO]- 406.22485 209.5
[M+CH3COO]- 420.24050 197.5
[M+Na-2H]- 382.20132 195.0
[M]+ 361.22610 189.1
[M]- 361.22720 189.1
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.