CID 384536

Nsc674507

Structural Information

Molecular Formula
C27H31N5O5S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCN(CCO)CCO)NC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C27H31N5O5S/c28-38(36,37)20-11-9-19(10-12-20)30-25-21-5-1-2-8-24(21)31-26-22(25)6-3-7-23(26)27(35)29-13-4-14-32(15-17-33)16-18-34/h1-3,5-12,33-34H,4,13-18H2,(H,29,35)(H,30,31)(H2,28,36,37)
InChIKey
ZXXSWUJLRCEGRM-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.2046 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.21188 219.2
[M+Na]+ 560.19382 221.8
[M-H]- 536.19732 223.1
[M+NH4]+ 555.23842 222.6
[M+K]+ 576.16776 216.8
[M+H-H2O]+ 520.20186 208.8
[M+HCOO]- 582.20280 232.9
[M+CH3COO]- 596.21845 255.1
[M+Na-2H]- 558.17927 226.0
[M]+ 537.20405 223.4
[M]- 537.20515 223.4
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.