CID 3008694

1-[(3,5-dimethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C14H21N5O3
SMILES
CC1(N=C(N=C(N1OCC2=CC(=CC(=C2)OC)OC)N)N)C
InChI
InChI=1S/C14H21N5O3/c1-14(2)18-12(15)17-13(16)19(14)22-8-9-5-10(20-3)7-11(6-9)21-4/h5-7H,8H2,1-4H3,(H4,15,16,17,18)
InChIKey
WLCVIEKMPFJDLD-UHFFFAOYSA-N
Compound name
1-[(3,5-dimethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 172.5
[M+Na]+ 330.15365 181.7
[M-H]- 306.15715 175.3
[M+NH4]+ 325.19825 184.8
[M+K]+ 346.12759 178.8
[M+H-H2O]+ 290.16169 163.1
[M+HCOO]- 352.16263 192.8
[M+CH3COO]- 366.17828 211.4
[M+Na-2H]- 328.13910 176.3
[M]+ 307.16388 174.9
[M]- 307.16498 174.9
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.