CID 501260

6-[(2,5-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C16H19N5O2
SMILES
COC1=CC=C(C(C1)CC2=CC3=C(N=C(N=C3N=C2)N)N)OC
InChI
InChI=1S/C16H19N5O2/c1-22-11-3-4-13(23-2)10(7-11)5-9-6-12-14(17)20-16(18)21-15(12)19-8-9/h3-4,6,8,10H,5,7H2,1-2H3,(H4,17,18,19,20,21)
InChIKey
QUVSSXLWPVXGEV-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethoxycyclohexa-2,4-dien-1-yl)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.15387 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16115 175.9
[M+Na]+ 336.14309 184.7
[M-H]- 312.14659 179.1
[M+NH4]+ 331.18769 186.7
[M+K]+ 352.11703 179.6
[M+H-H2O]+ 296.15113 165.4
[M+HCOO]- 358.15207 194.9
[M+CH3COO]- 372.16772 185.7
[M+Na-2H]- 334.12854 180.6
[M]+ 313.15332 176.0
[M]- 313.15442 176.0
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.