CID 3069213

St 886

Structural Information

Molecular Formula
C22H27N5O3
SMILES
CN(C)C1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)N(C)C)CC(CO)O
InChI
InChI=1S/C22H27N5O3/c1-25(2)17-9-5-15(6-10-17)20-21(16-7-11-18(12-8-16)26(3)4)24-27(22(30)23-20)13-19(29)14-28/h5-12,19,28-29H,13-14H2,1-4H3
InChIKey
BDDXNZKMNNWGFY-UHFFFAOYSA-N
Compound name
2-(2,3-dihydroxypropyl)-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2114 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21868 199.6
[M+Na]+ 432.20062 212.8
[M+NH4]+ 427.24522 204.0
[M+K]+ 448.17456 207.4
[M-H]- 408.20412 204.3
[M+Na-2H]- 430.18607 207.6
[M]+ 409.21085 202.6
[M]- 409.21195 202.6
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

No patent data available for this compound.