CID 3041270

Brn 0630079

Structural Information

Molecular Formula
C19H20ClN5O
SMILES
CC(C1=NC(=NC(=N1)NCCC2=CC=CC=C2)N)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN5O/c1-13(26-16-9-7-15(20)8-10-16)17-23-18(21)25-19(24-17)22-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H3,21,22,23,24,25)
InChIKey
GIICVPHXRVSNJD-UHFFFAOYSA-N
Compound name
6-[1-(4-chlorophenoxy)ethyl]-2-N-(2-phenylethyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.13565 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.14293 186.8
[M+Na]+ 392.12487 193.8
[M-H]- 368.12837 191.7
[M+NH4]+ 387.16947 194.5
[M+K]+ 408.09881 186.4
[M+H-H2O]+ 352.13291 175.1
[M+HCOO]- 414.13385 202.6
[M+CH3COO]- 428.14950 195.4
[M+Na-2H]- 390.11032 191.4
[M]+ 369.13510 188.3
[M]- 369.13620 188.3
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

patents stripe