CID 3010901

7h-cyclopenta[4,5]pyrido[2,3-d]pyrimidine-1,3-diamine, 8,9-dihydro-8-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C19H21N5O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2CC3=CN=C4C(=C3C2)C(=NC(=N4)N)N
InChI
InChI=1S/C19H21N5O3/c1-25-13-6-10(7-14(26-2)16(13)27-3)9-4-11-8-22-18-15(12(11)5-9)17(20)23-19(21)24-18/h6-9H,4-5H2,1-3H3,(H4,20,21,22,23,24)
InChIKey
LKHSUAXROMGMDJ-UHFFFAOYSA-N
Compound name
4-(3,4,5-trimethoxyphenyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.16443 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 188.5
[M+Na]+ 390.15365 198.4
[M-H]- 366.15715 193.4
[M+NH4]+ 385.19825 200.2
[M+K]+ 406.12759 193.2
[M+H-H2O]+ 350.16169 178.4
[M+HCOO]- 412.16263 207.0
[M+CH3COO]- 426.17828 198.3
[M+Na-2H]- 388.13910 190.5
[M]+ 367.16388 191.5
[M]- 367.16498 191.5
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.