CID 108981

60640-92-8

Structural Information

Molecular Formula
C21H21N5O2
SMILES
C=CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)NC3=CC=CC=C3)OCC=C
InChI
InChI=1S/C21H21N5O2/c1-3-14-27-20-24-19(25-21(26-20)28-15-4-2)23-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h3-13,22H,1-2,14-15H2,(H,23,24,25,26)
InChIKey
JWTDUUYINZWIBA-UHFFFAOYSA-N
Compound name
4-N-[4,6-bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-1-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

375.16953 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.176806 190.4
[M+Na]+ 398.158748 196.4
[M-H]- 374.162254 195.6
[M+NH4]+ 393.203353 196.9
[M+K]+ 414.132688 189.2
[M+H-H2O]+ 358.166790 177.5
[M+HCOO]- 420.167731 212.2
[M+CH3COO]- 434.183381 223.0
[M+Na-2H]- 396.144196 196.5
[M]+ 375.16898142 191.6
[M]- 375.17007858 191.6
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

patents stripe