CID 16073797

Chembl20922

Structural Information

Molecular Formula
C23H31N5O
SMILES
CCCCCC1=CC=C(C=C1)OCC2=CC(=CC=C2)N3C(=NC(=NC3(C)C)N)N
InChI
InChI=1S/C23H31N5O/c1-4-5-6-8-17-11-13-20(14-12-17)29-16-18-9-7-10-19(15-18)28-22(25)26-21(24)27-23(28,2)3/h7,9-15H,4-6,8,16H2,1-3H3,(H4,24,25,26,27)
InChIKey
RYPITQKKMGHSMZ-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-[3-[(4-pentylphenoxy)methyl]phenyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

393.25287 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.26015 201.1
[M+Na]+ 416.24209 207.9
[M-H]- 392.24559 205.9
[M+NH4]+ 411.28669 209.4
[M+K]+ 432.21603 201.0
[M+H-H2O]+ 376.25013 189.1
[M+HCOO]- 438.25107 219.2
[M+CH3COO]- 452.26672 229.4
[M+Na-2H]- 414.22754 202.7
[M]+ 393.25232 201.1
[M]- 393.25342 201.1
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.