CID 16073798

Chembl417461

Structural Information

Molecular Formula
C18H20ClN5O
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)COC3=CC(=CC=C3)Cl)N)N)C
InChI
InChI=1S/C18H20ClN5O/c1-18(2)23-16(20)22-17(21)24(18)14-7-3-5-12(9-14)11-25-15-8-4-6-13(19)10-15/h3-10H,11H2,1-2H3,(H4,20,21,22,23)
InChIKey
JEJKECLVSUQMHZ-UHFFFAOYSA-N
Compound name
1-[3-[(3-chlorophenoxy)methyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

357.13565 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14293 185.6
[M+Na]+ 380.12487 195.3
[M-H]- 356.12837 191.0
[M+NH4]+ 375.16947 196.3
[M+K]+ 396.09881 188.1
[M+H-H2O]+ 340.13291 175.0
[M+HCOO]- 402.13385 200.8
[M+CH3COO]- 416.14950 195.1
[M+Na-2H]- 378.11032 189.1
[M]+ 357.13510 186.2
[M]- 357.13620 186.2
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.