CID 33411

Brn 0525342

Structural Information

Molecular Formula
C12H23N5
SMILES
CCCC1=NC(=NC(=N1)NC(C)C)NC(C)C
InChI
InChI=1S/C12H23N5/c1-6-7-10-15-11(13-8(2)3)17-12(16-10)14-9(4)5/h8-9H,6-7H2,1-5H3,(H2,13,14,15,16,17)
InChIKey
YFBIGPNGRMQOOT-UHFFFAOYSA-N
Compound name
2-N,4-N-di(propan-2-yl)-6-propyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.19534 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.20262 158.3
[M+Na]+ 260.18456 168.3
[M+NH4]+ 255.22916 164.1
[M+K]+ 276.15850 163.2
[M-H]- 236.18806 159.1
[M+Na-2H]- 258.17001 163.0
[M]+ 237.19479 159.6
[M]- 237.19589 159.6
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.