CID 6479582

1-decoxy-2-[(e)-styryl]-2h-1,3,5-triazine-4,6-diamine

Structural Information

Molecular Formula
C21H33N5O
SMILES
CCCCCCCCCCON1C(N=C(N=C1N)N)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H33N5O/c1-2-3-4-5-6-7-8-12-17-27-26-19(24-20(22)25-21(26)23)16-15-18-13-10-9-11-14-18/h9-11,13-16,19H,2-8,12,17H2,1H3,(H4,22,23,24,25)/b16-15+
InChIKey
APHKRYQCRCDSBW-FOCLMDBBSA-N
Compound name
1-decoxy-2-[(E)-2-phenylethenyl]-2H-1,3,5-triazine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.26852 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.27580 195.8
[M+Na]+ 394.25774 199.7
[M-H]- 370.26124 196.2
[M+NH4]+ 389.30234 203.0
[M+K]+ 410.23168 192.9
[M+H-H2O]+ 354.26578 184.1
[M+HCOO]- 416.26672 213.6
[M+CH3COO]- 430.28237 224.2
[M+Na-2H]- 392.24319 196.3
[M]+ 371.26797 195.8
[M]- 371.26907 195.8
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.