CID 470282

6-[(e)-9-anthryliminomethyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C23H18N6
SMILES
CC1=C2C(=NC(=NC2=NC=C1C=NC3=C4C=CC=CC4=CC5=CC=CC=C53)N)N
InChI
InChI=1S/C23H18N6/c1-13-16(12-27-22-19(13)21(24)28-23(25)29-22)11-26-20-17-8-4-2-6-14(17)10-15-7-3-5-9-18(15)20/h2-12H,1H3,(H4,24,25,27,28,29)
InChIKey
RCMFGYFERBGLCD-UHFFFAOYSA-N
Compound name
6-(anthracen-9-yliminomethyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

378.1593 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.16658 193.0
[M+Na]+ 401.14852 204.2
[M-H]- 377.15202 199.5
[M+NH4]+ 396.19312 203.2
[M+K]+ 417.12246 195.0
[M+H-H2O]+ 361.15656 180.6
[M+HCOO]- 423.15750 213.6
[M+CH3COO]- 437.17315 202.4
[M+Na-2H]- 399.13397 202.5
[M]+ 378.15875 193.6
[M]- 378.15985 193.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.