CID 169976

1,3,5-triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C14H21N5O3
SMILES
CC1(N=C(N=C(N1C2=CC(=C(C(=C2)OC)OC)OC)N)N)C
InChI
InChI=1S/C14H21N5O3/c1-14(2)18-12(15)17-13(16)19(14)8-6-9(20-3)11(22-5)10(7-8)21-4/h6-7H,1-5H3,(H4,15,16,17,18)
InChIKey
CEPCOAFRGSPTSE-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

307.16443 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.17171 173.1
[M+Na]+ 330.15365 183.2
[M-H]- 306.15715 176.3
[M+NH4]+ 325.19825 185.8
[M+K]+ 346.12759 180.4
[M+H-H2O]+ 290.16169 164.0
[M+HCOO]- 352.16263 193.4
[M+CH3COO]- 366.17828 212.7
[M+Na-2H]- 328.13910 176.1
[M]+ 307.16388 176.0
[M]- 307.16498 176.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.