CID 160043

Nsc687936

Structural Information

Molecular Formula
C19H22N4O
SMILES
C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCNCCN
InChI
InChI=1S/C19H22N4O/c20-9-12-21-10-4-11-22-19(24)16-7-3-6-15-13-14-5-1-2-8-17(14)23-18(15)16/h1-3,5-8,13,21H,4,9-12,20H2,(H,22,24)
InChIKey
SDGDOHYVIQIVQO-UHFFFAOYSA-N
Compound name
N-[3-(2-aminoethylamino)propyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.17935 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18663 173.4
[M+Na]+ 345.16857 179.4
[M-H]- 321.17207 176.5
[M+NH4]+ 340.21317 187.1
[M+K]+ 361.14251 173.6
[M+H-H2O]+ 305.17661 164.2
[M+HCOO]- 367.17755 196.2
[M+CH3COO]- 381.19320 217.2
[M+Na-2H]- 343.15402 181.9
[M]+ 322.17880 174.0
[M]- 322.17990 174.0
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

patents stripe